3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione

C6H9NO3S — CID 60879512

IUPAC3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C6H9NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h4,8H,2-3H2,1H3
InChIKeyIPTSHGKUGBROAG-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.06
Rot. Bonds2

About 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione

3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 60879512) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID60879512
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C6H9NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h4,8H,2-3H2,1H3
InChIKeyIPTSHGKUGBROAG-UHFFFAOYSA-N
XLogP0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Chloro-2-hydroxypropyl)thiazolidine-2,4-dione
CID 3784847
4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
3-(2-Hydroxyethyl)thiazolidine-2,4-dione
CID 12231218
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648598
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
2-Hydroxy-3-methylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 123395766
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012
2-Hydroxy-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 140079285
3-[(3R)-3-methoxybutan-2-yl]-1,3-thiazolidine-2,4-dione
CID 148234843
3-[(2S)-3-chloro-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
CID 1854410

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione (CID 60879512) is 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione is CC(O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is IPTSHGKUGBROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-4(8)2-7-5(9)3-11-6(7)10/h4,8H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione?
3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 175.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 60879512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).